[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H28N4O2 — CID 70758520

IUPAC[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-22-12-8-21-19(22)17-4-2-9-24(14-17)20(25)16-6-10-23(11-7-16)15-18-5-3-13-26-18/h3,5,8,12-13,16-17H,2,4,6-7,9-11,14-15H2,1H3
InChIKeyIYPDZWSTJDGFPU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.63
Rot. Bonds4

About [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70758520) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID70758520
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-22-12-8-21-19(22)17-4-2-9-24(14-17)20(25)16-6-10-23(11-7-16)15-18-5-3-13-26-18/h3,5,8,12-13,16-17H,2,4,6-7,9-11,14-15H2,1H3
InChIKeyIYPDZWSTJDGFPU-UHFFFAOYSA-N
XLogP2.63
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72879174
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 70758520) is [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cn1ccnc1C1CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IYPDZWSTJDGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-12-8-21-19(22)17-4-2-9-24(14-17)20(25)16-6-10-23(11-7-16)15-18-5-3-13-26-18/h3,5,8,12-13,16-17H,2,4,6-7,9-11,14-15H2,1H3.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70758520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).